⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28343943 | 1.00 | — | — | |
| SCHEMBL28666445 | 1.00 | — | — | |
| SCHEMBL29897 | 1.00 | — | — | |
| SCHEMBL28304850 | 1.00 | — | — | |
| SCHEMBL27746550 | 1.00 | — | — | |
| SCHEMBL18550615 | 0.87 | — | — | |
| Water SCHEMBL19946487 | 0.87 | — | — | |
| SCHEMBL197050 | 0.87 | — | — | |
| SCHEMBL21196775 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL18983296 | 0.87 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-220423924-U | Internal jugular vein drag hook | 上海交通大学医学院附属第九人民医院 | 2024-02-02 | — | — | CN | disclosed |